N-[(3-bromophenyl)methyl]-N-cyclopropyl-2-(methylamino)acetamide;hydrochloride

C13H18BrClN2O — CID 119715240

IUPACN-[(3-bromophenyl)methyl]-N-cyclopropyl-2-(methylamino)acetamide;hydrochloride
SMILESCNCC(=O)N(Cc1cccc(Br)c1)C1CC1.Cl
InChIInChI=1S/C13H17BrN2O.ClH/c1-15-8-13(17)16(12-5-6-12)9-10-3-2-4-11(14)7-10;/h2-4,7,12,15H,5-6,8-9H2,1H3;1H
InChIKeyAEASRCJITCWTNB-UHFFFAOYSA-N
MW333.66 g/mol
LogP2.58
Rot. Bonds5

About N-[(3-bromophenyl)methyl]-N-cyclopropyl-2-(methylamino)acetamide;hydrochloride

N-[(3-bromophenyl)methyl]-N-cyclopropyl-2-(methylamino)acetamide;hydrochloride (PubChem CID 119715240) has the molecular formula C13H18BrClN2O and a molecular weight of 333.66 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-N-cyclopropyl-2-(methylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-N-cyclopropyl-2-(methylamino)acetamide;hydrochloride
PubChem CID119715240
Molecular FormulaC13H18BrClN2O
Molecular Weight333.66 g/mol
Exact Mass332.03
IUPAC NameN-[(3-bromophenyl)methyl]-N-cyclopropyl-2-(methylamino)acetamide;hydrochloride
SMILESCNCC(=O)N(Cc1cccc(Br)c1)C1CC1.Cl
InChIInChI=1S/C13H17BrN2O.ClH/c1-15-8-13(17)16(12-5-6-12)9-10-3-2-4-11(14)7-10;/h2-4,7,12,15H,5-6,8-9H2,1H3;1H
InChIKeyAEASRCJITCWTNB-UHFFFAOYSA-N
XLogP2.58
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.66
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(3-bromophenyl)methyl]-N-cyclopropyl-2-(methylamino)acetamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-2-(methylamino)acetamide
CID 54872475
N-[(3-bromophenyl)methyl]-N-cyclopropyl-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119715258
N'-[(3-bromophenyl)methyl]-N'-cyclopropyl-N,N-dipropylpentanediamide
CID 56539357
N-[(3-bromophenyl)methyl]-N-cyclopropyl-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide
CID 55912619
3-(2-aminophenyl)-N-[(3-bromophenyl)methyl]-N-cyclopropylpropanamide;hydrochloride
CID 120608805
N-cyclopropyl-2-(methylamino)-N-[(4-propan-2-ylphenyl)methyl]acetamide;hydrochloride
CID 119693001
N-[(3-bromophenyl)methyl]-N-cyclopropyl-2-hydroxybenzamide
CID 112817182
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-(methylamino)acetamide
CID 60686602
N-[(3-bromophenyl)methyl]-N-cyclopropyl-2-(2,4-difluorophenoxy)acetamide
CID 55596434
N-cyclopropyl-N-[(3-fluorophenyl)methyl]-4-(methylamino)butanamide;hydrochloride
CID 119715339
N-[(3-bromophenyl)methyl]-N-cyclopropyl-4-methylsulfinylbenzamide
CID 55594001
N-[(3-bromophenyl)methyl]-N-cyclopropyl-3,4-dimethoxybenzamide
CID 55583180

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-N-cyclopropyl-2-(methylamino)acetamide;hydrochloride?
The IUPAC name of N-[(3-bromophenyl)methyl]-N-cyclopropyl-2-(methylamino)acetamide;hydrochloride (CID 119715240) is N-[(3-bromophenyl)methyl]-N-cyclopropyl-2-(methylamino)acetamide;hydrochloride.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-N-cyclopropyl-2-(methylamino)acetamide;hydrochloride?
The canonical SMILES for N-[(3-bromophenyl)methyl]-N-cyclopropyl-2-(methylamino)acetamide;hydrochloride is CNCC(=O)N(Cc1cccc(Br)c1)C1CC1.Cl.
What is the InChIKey of N-[(3-bromophenyl)methyl]-N-cyclopropyl-2-(methylamino)acetamide;hydrochloride?
The InChIKey is AEASRCJITCWTNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O.ClH/c1-15-8-13(17)16(12-5-6-12)9-10-3-2-4-11(14)7-10;/h2-4,7,12,15H,5-6,8-9H2,1H3;1H.
What are the key properties of N-[(3-bromophenyl)methyl]-N-cyclopropyl-2-(methylamino)acetamide;hydrochloride?
N-[(3-bromophenyl)methyl]-N-cyclopropyl-2-(methylamino)acetamide;hydrochloride has a molecular weight of 333.66 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-N-cyclopropyl-2-(methylamino)acetamide;hydrochloride is sourced from PubChem (CID 119715240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).